N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine

C15H25NO4 — CID 15946638

IUPACN-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine
SMILESC1CCC2(CC1)OOC1(CCC(NC3CC3)CC1)OO2
InChIInChI=1S/C15H25NO4/c1-2-8-14(9-3-1)17-19-15(20-18-14)10-6-13(7-11-15)16-12-4-5-12/h12-13,16H,1-11H2
InChIKeyBTXWQDYTURCZFP-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.95
Rot. Bonds2

About N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine

N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine (PubChem CID 15946638) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine.

Molecular Properties

Compound NameN-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine
PubChem CID15946638
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC NameN-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine
SMILESC1CCC2(CC1)OOC1(CCC(NC3CC3)CC1)OO2
InChIInChI=1S/C15H25NO4/c1-2-8-14(9-3-1)17-19-15(20-18-14)10-6-13(7-11-15)16-12-4-5-12/h12-13,16H,1-11H2
InChIKeyBTXWQDYTURCZFP-UHFFFAOYSA-N
XLogP2.95
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine
CID 15946639
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol
CID 24828450
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine
CID 24828451
N-cyclopropylcyclododecanamine
CID 16776852
CID 90665574
CID 90665574
N-(4-methylcycloheptyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 102795154
7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane
CID 24939149
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-yl acetate
CID 171402327
N-(2,2-dimethyloxan-4-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 83033541
N-cyclohexylspiro[2.4]heptan-6-amine
CID 170209384
N-(3-methylcyclopentyl)spiro[4.5]decan-8-amine
CID 114817955
N-(3-methylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43317686

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine?
The IUPAC name of N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine (CID 15946638) is N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine.
What is the SMILES notation for N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine?
The canonical SMILES for N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine is C1CCC2(CC1)OOC1(CCC(NC3CC3)CC1)OO2.
What is the InChIKey of N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine?
The InChIKey is BTXWQDYTURCZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-2-8-14(9-3-1)17-19-15(20-18-14)10-6-13(7-11-15)16-12-4-5-12/h12-13,16H,1-11H2.
What are the key properties of N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine?
N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine has a molecular weight of 283.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine is sourced from PubChem (CID 15946638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).